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Application

Discovery Studio 0.7114818449460255 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09666381522668947 Amorphous Cell 0.11291702309666382 Antibody 0.0 Blends 8.55431993156544E-4 CASTEP 0.6415739948674081 CDOCKER 0.2643284858853721 CHARMm 0.32249786142001713 COMPASS 0.3028229255774166 COMPASS III 0.00427715996578272 COSMOconf 0.0 COSMOtherm 0.026518391787852865 Catalyst 0.33361847733105215 Classical Simulations 0.9409751924721984 Conformers 0.001710863986313088 Crystallization 0.16338751069289992 DFTB Plus 0.0051325919589392645 DMol3 0.3721129170230967 DPD 0.009409751924721984 Discover 0.033361847733105215 Forcite 0.32763045337895635 GULP 0.041916167664670656 LUDI 0.011120615911035072 LibDock 0.0427715996578272 LigandFit 0.05645851154833191 MCSS 0.0 MODELER 0.1881950384944397 MesoDyn 0.003421727972626176 Mesocite 0.005988023952095809 Mesoscale 0.01710863986313088 Morphology 0.01710863986313088 Polymorph 0.005988023952095809 QMERA 0.001710863986313088 QSAR 0.001710863986313088 Quantum Mechanics 1.0 Reflex 0.13515825491873396 Reflex Plus 0.011120615911035072 Semi-empirical 0.0213857998289136 Sorption 0.04704875962360992 TURBOMOLE 8.55431993156544E-4 VAMP 0.01283147989734816 Visualization 0.5859709153122327 X-Cell 0.0051325919589392645 ZDOCK 0.007698887938408896

Year

2003 0.0 2004 0.024232633279483037 2005 0.025848142164781908 2006 0.050080775444264945 2007 0.05654281098546042 2008 0.09531502423263329 2009 0.14862681744749595 2010 0.16639741518578352 2011 0.1938610662358643 2012 0.2455573505654281 2013 0.2681744749596123 2014 0.37479806138933763 2015 0.40387722132471726 2016 0.3877221324717286 2017 0.38449111470113084 2018 0.3570274636510501 2019 0.11631663974151858 2020 0.42326332794830374 2021 0.3247172859450727 2022 1.0 2023 0.308562197092084 2024 0.25040387722132473 2025 0.09046849757673667 2026 0.05492730210016155

Keywords

synthesized 1.0 target 0.9685371391501784 synthesis 0.2941939669153422 novel 0.20369769704832955 compound 0.13071683425235162 docking 0.12358092766785599 potential 0.10703859876743432 between 0.09601037950048653 designed 0.07103470645475186 activity 0.06811547194291274 visualization 0.06195264352903017 analysis 0.057735971456373665 experimental 0.04897826792085631 design 0.04443723645799546 potent 0.03438209536166072 medicinal 0.024975673045734673 well 0.016542328900421666 x-ray 0.012001297437560817 binding 0.01167693804735647 chemical 0.010703859876743431 promising 0.009406422315926047 energy 0.007460265974699967 inhibition 0.007135906584495621 catalyst 9.730781706130393E-4 vitro 0.0
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